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Fmoc-NH-PEG12-CH2COOH

CAT: 0931-T17967-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T17967-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2291257-76-4
Target
PROTAC Linker, Others
Related Pathways
PROTAC, Others
Bioactivity
Fmoc-NH-PEG12-CH2COOH is a PEG-based linker for PROTACs that connects two essential ligands, facilitating selective protein degradation by utilizing the ubiquitin-proteasome system within cells.
Smiles
O=C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1C=2C=CC=CC2C=3C=CC=CC31
Molecular Formula
C41H63NO16
Molecular Weight
825.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fmoc-NH-PEG12-CH2COOH
CAS Number2291257-76-4
PubChem CID126480444
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
Molecular FormulaC41H63NO16
Molecular Weight825.9
XLogP0.9
Topological Polar Surface Area186
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count41
Heavy Atom Count58
Formal Charge0
Complexity960
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C41H63NO16/c43-40(44)34-57-32-31-56-30-29-55-28-27-54-26-25-53-24-23-52-22-21-51-20-19-50-18-17-49-16-15-48-14-13-47-12-11-46-10-9-42-41(45)58-33-39-37-7-3-1-5-35(37)36-6-2-4-8-38(36)39/h1-8,39H,9-34H2,(H,42,45)(H,43,44)
InChIKey
YZIUMHBWFVGVKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-NH-PEG12-CH2COOH
CAS: 2291257-76-4
CID: 126480444
Formula: C41H63NO16
MW: 825.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight825.9
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count41
Exact Mass825.41468492
Monoisotopic Mass825.41468492
Topological Polar Surface Area186 Ų
Heavy Atom Count58
Formal Charge0
Complexity960
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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